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Chemical ID: 5920655
Chemical ID:
5920655
Name [?]:
N-butyl-N-[[3-(3-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-2-methyl-butanamide
SMILES [?]:
CCCCN(CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl)C(=O)C(C)CC
InChi [?]:
InChI=1/C20H28ClN3O3/c1-4-6-10-22(20(27)15(3)5-2)12-18(25)23-13-19(26)24(14-23)17-9-7-8-16(21)11-17/h7-9,11,15H,4-6,10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,2,26,3,17,18,16,4,20,6,10,14,24,19,15,7,11,22,21,5,9,13,8,12,23/rA:27cCCCCNCCONCCONCCCCCCCClCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s9s13;s13;s15;d16;s17;d18;d15s19;s19;s5;d22;s22;s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5204 |
Area: | 643.409 |
Solvation: | -4.56488 |
Coulombic: | -49.2032 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 393.907 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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